Basic information
- CAS
126356-28-3- Standard SMILES
COc1cc2c(cc1OC)/C(=C/C(=O)NCCO)NC(C)(C)C2.Cl- InChIKey
PGUDNOMOKPCQTN-CHHCPSLASA-N- Molecular formula
- C17H25ClN2O4
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.150285
Names & identifiers
- Preferred name
- Acetamide, 2-(3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2-hydroxyethyl)-, monohydrochloride, (Z)-
- IUPAC
- (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-hydroxyethyl)acetamide;hydrochloride
Names & synonyms
126356-28-3Acetamide, 2-(3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)-N-(2-hydroxyethyl)-, monohydrochloride, (Z)-RefChem:1075207
Database identifiers
- CAS
126356-28-3- PubChem CID
- 6449600
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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